DIBENZ(a,h)ACRIDINE, 14-BUTYL-
Basic information
- CAS
10457-58-6- Standard SMILES
CCCCc1c2ccc3ccccc3c2nc2ccc3ccccc3c12- InChIKey
JOFFJINKGNRGBE-UHFFFAOYSA-N- Molecular formula
- C25H21N
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.16739967
Names & identifiers
- Preferred name
- DIBENZ(a,h)ACRIDINE, 14-BUTYL-
- IUPAC
- 13-butyl-2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
- English name
- 14-Butyldibenz[a,h]acridine
- Molecular formula
- C25H21N
- Molecular weight
- 335.44
Names & synonyms
DIBENZ(a,h)ACRIDINE, 14-BUTYL-10457-58-6BRN 030124814-n-Butyl dibenz(a,h)acridine10-n-Butyl-1,2,5,6-dibenzacridine14-Butyldibenz[a,h]acridine10-n-Butyl-1,2,5,6-dibenzacridine [French]13-butyl-2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene14-butyldibenzo[a,h]acridine4-20-00-04468 (Beilstein Handbook Reference)14-n-Butyldibenz[a,h]acridineDTXSID60146559
Show more names
Dibenz[a,h]acridine, 14-butyl-
Database identifiers
- CAS
10457-58-6- PubChem CID
- 25291
- DTXSID
DTXSID60146559- Nikkaji
- J34.873B
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Melting point
- 223 · 223-224 °C
- Boiling point
- 462.07 °C · 462.07°C (rough estimate)
- Density
- 1.1413 · 1.1413 (rough estimate)
- refractive index
- 1.9 · 1.9000 (estimate)
- pka
- 5.86 · 5.86±0.30(Predicted)
Chemistry & industry
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